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Updated README with example uses, added progress file option

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Trung Nguyen
2024-07-23 10:01:29 -05:00
parent dbc1582c86
commit 1bde65c1f3
2 changed files with 55 additions and 37 deletions
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53
tools/regression-tests/run_tests.py
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@ -16,7 +16,7 @@ With the current features, users can:
Limitations:
- input scripts use thermo style multi (e.g., examples/peptide) do not work with the expected thermo output format
- input scripts that require partition runs (e.g. examples/neb) need a separate config file, e.g. "args: --partition 2x1"
- input scripts that require partition runs (e.g. examples/neb) need a separate config file, e.g. "args: --partition 3x1"
- testing accelerator packages (GPU, INTEL, KOKKOS, OPENMP) need separate config files, "args: -sf omp -pk omp 4"
TODO:
@ -32,16 +32,32 @@ The following Python packages need to be installed into an activated environment
pip install numpy pyyaml junit_xml
Example usage:
1) Simple use (using the provided tools/regression-tests/config.yaml and the examples/ folder at the top level)
python3 run_tests.py --lmp-bin=/path/to/lmp_binary
python3 run_tests.py --lmp-bin=/path/to/lmp_binary
2) Use a custom testing configuration
python3 run_tests.py --lmp-bin=/path/to/lmp_binary --config-file=/path/to/config/file/config.yaml
3) Specify a list of example folders with a modifed configuration (e.g. different tolerances)
python3 run_tests.py --lmp-bin=/path/to/lmp_binary \
--example-folders="/path/to/examples/folder1;/path/to/examples/folder2" \
--config-file=/path/to/config/file/config.yaml
python3 run_tests.py --lmp-bin=/path/to/lmp_binary --config-file=/path/to/config/file/config.yaml
3) Specify a list of example folders
python3 run_tests.py --lmp-bin=/path/to/lmp_binary --config-file=/path/to/config/file/config.yaml \
--example-folders="/path/to/examples/folder1;/path/to/examples/folder2"
The example folders can also be loaded from a text file list_subfolders1.txt:
python3 run_tests.py --lmp-bin=/path/to/lmp_binary --config-file=/path/to/config/file/config.yaml \
--list-input=list_subfolders1.txt --output-file=output1.txt --progress-file=progress1.yaml \
--log-file=run1.log
4) Test a LAMMPS binary with the whole top-level /examples folder in a LAMMPS source tree
python3 run_tests.py --lmp-bin=/path/to/lmp_binary --example-top-level=/path/to/lammps/examples
python3 run_tests.py --lmp-bin=/path/to/lmp_binary --example-top-level=/path/to/lammps/examples
5) Analyze (dry run) the LAMMPS binary annd whole top-level /examples folder in a LAMMPS source tree
and generate separate input lists for 8 workers:
python3 run_tests.py --lmp-bin=/path/to/lmp_binary --example-top-level=/path/to/lammps/examples \
--dry-run --num-workers=8
This is used for splitting the subfolders into separate input lists and launching different instances
of run_tests.py simultaneously.
'''
import os
@ -603,6 +619,7 @@ if __name__ == "__main__":
genref = False
verbose = False
output_file = "output.xml"
progress_file = "progress.yaml"
log_file = "run.log"
list_input = ""
dry_run = False
@ -625,8 +642,9 @@ if __name__ == "__main__":
help="Verbose output")
parser.add_argument("--resume",dest="resume", action='store_true', default=False,
help="Resume the test run")
parser.add_argument("--output",dest="output", default=output_file, help="Output file")
parser.add_argument("--logfile",dest="logfile", default=log_file, help="Log file")
parser.add_argument("--output-file",dest="output", default=output_file, help="Output file")
parser.add_argument("--log-file",dest="logfile", default=log_file, help="Log file")
parser.add_argument("--progress-file",dest="progress_file", default=progress_file, help="Progress file")
parser.add_argument("--dry-run",dest="dry_run", action='store_true', default=False,
help="Only report statistics, not running the tests")
@ -650,6 +668,7 @@ if __name__ == "__main__":
log_file = args.logfile
dry_run = args.dry_run
resume = args.resume
progress_file = args.progress_file
# logging
logger = logging.getLogger(__name__)
@ -757,18 +776,18 @@ if __name__ == "__main__":
pwd = os.path.abspath(pwd)
print("\nWorking directory: " + pwd)
progress_file = pwd + "/progress.yaml"
progress_file_abs = pwd + "/" + progress_file
last_progress = {}
if resume == False:
progress = open(progress_file, "w")
progress = open(progress_file_abs, "w")
progress.close()
else:
try:
progress = open(progress_file, "r")
progress = open(progress_file_abs, "r")
last_progress = yaml.load(progress, Loader=Loader)
progress.close()
except Exception:
print(f"Cannot open progress file {progress_file} to resume, rerun all the tests")
print(f"Cannot open progress file {progress_file_abs} to resume, rerun all the tests")
# default setting is to use inplace_input
if inplace_input == True:
@ -804,7 +823,7 @@ if __name__ == "__main__":
# iterate through the input scripts
results = []
num_passed = iterate(lmp_binary, directory, input_list, config, results, progress_file, last_progress)
num_passed = iterate(lmp_binary, directory, input_list, config, results, progress_file_abs, last_progress)
passed_tests += num_passed
# append the results to the all_results list
@ -818,13 +837,13 @@ if __name__ == "__main__":
input_list=['in.lj']
total_tests = len(input_list)
results = []
passed_tests = iterate(lmp_binary, pwd, input_list, config, results, progress_file)
passed_tests = iterate(lmp_binary, pwd, input_list, config, results, progress_file_abs)
all_results.extend(results)
# print out summary
print("\nSummary:")
print(f" - {passed_tests} numerical tests passed / {total_tests} tests")
print(f" - {passed_tests} numerical tests passed / {total_tests} tests run")
print(f" - Test results in JUnit XML format are given in {output_file}.")
print(f" - Progress is given in {progress_file}.\n")